CID 34773

30010-08-3

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC1(CC(CO1)O)C
InChI
InChI=1S/C7H14O2/c1-3-7(2)4-6(8)5-9-7/h6,8H,3-5H2,1-2H3
InChIKey
QKADHOBFWJDXQB-UHFFFAOYSA-N
Compound name
5-ethyl-5-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 125.9
[M+Na]+ 153.088598 133.4
[M-H]- 129.092104 128.8
[M+NH4]+ 148.133203 149.9
[M+K]+ 169.062538 133.8
[M+H-H2O]+ 113.096640 122.4
[M+HCOO]- 175.097581 146.9
[M+CH3COO]- 189.113231 168.1
[M+Na-2H]- 151.074046 132.1
[M]+ 130.09883142 125.1
[M]- 130.09992858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.